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Tumor Discovery Mechanism of Buddleja officinalis against ESCC

Figure 5. MAPK signaling pathway underpinning the suppression of ESCC by BO. The KEGG pathway enrichment was analyzed using the R packages
“Pathview”. The arrows represent the direction of regulation in which upstream genes regulate downstream genes. Targets dyed red indicate targets in the
signaling network that are regulated by BO.
Abbreviations: BO: Buddleja officinalis; ESCC: Esophageal squamous cell carcinoma; KEGG: Kyoto encyclopedia of genes and genomes.

Table 4. Results of docking six active ingredients in BO to AKT1
No. ID Ingredient Vina scores Center* Size #
(kcal/mol) x y z x y z
1 MOL001689 Acacetin −6.3 22.4029 15.3988 9.9840 42.8067 39.7904 49.2565
2 MOL001790 Linarin −8.0 16.7471 15.0165 9.1125 53.3138 42.1770 50.9995
3 MOL000006 Luteolin −6.2 16.7471 15.0165 9.1125 53.3138 42.1770 50.9995
4 MOL006673 Butyrospermyl acetate −6.2 16.7002 15.8043 9.9840 51.0469 40.6014 49.2565
5 MOL000004 Procyanidin B1 −7.2 16.7471 15.0165 9.1125 53.3138 42.1770 50.9995
6 MOL005789 Neobyakangelicol −6.0 16.5953 15.8043 9.1125 53.0102 40.0614 50.9995
*The center coordinates of the docking pocket between the ingredients and the target AKT1. #The size of the ingredients of the pocket with AKT1 in
the x, y and z directions.
Abbreviation: BO: Buddleja officinalis; AKT1: Threonine protein kinase.

Volume 3 Issue 1 (2024) 9 https://doi.org/10.36922/td.2312